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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7O4.Na
Molecular Weight 190.1285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM DEHYDROACETATE

SMILES

[Na+].CC(=O)C1=C([O-])C=C(C)OC1=O

InChI

InChIKey=ZPNRBQVNNIDJHX-UHFFFAOYSA-M
InChI=1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,10H,1-2H3;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H7O4
Molecular Weight 167.1388
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Sodium dehydroacetate, a water-soluble antiseptic, is a food and feed additive with antimicrobial effects. Recently published studies have shown that sodium dehydroacetate in patients with leg ulcers could cause allergic contact dermatitis.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
55.0 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
8W46YN971G
Record Status Validated (UNII)
Record Version